Hello,
i've created a 3d atomistic trajectory document called "name.xtd" containing the results of a dynamic simulation. The script seems to be unable to close or delete the file, because the following commands are not working - nothing is happening:
my \$trajectory = \$Documents{"name.xtd"};
\$trajectory->Close;
or
my \$trajectory = \$Documents{"name.xtd"};
\$trajectory->Discard;
or
my \$trajectory = \$Documents{"name.xtd"};
\$trajectory->Delete;
after the delete-command the file is still listed in the project explorer. re-running the delete-command leads to the following error: "The document does not contain a trajectory (function/property "Item") at -e line 13."
but the file is still listed in the project explorer with the result that i'm unable to launch a dynamics simulation using perl script: "Dynamics calculation - The trajectory file '\input.xtd' already exists."
any ideas?
thank you!
i've created a 3d atomistic trajectory document called "name.xtd" containing the results of a dynamic simulation. The script seems to be unable to close or delete the file, because the following commands are not working - nothing is happening:
my \$trajectory = \$Documents{"name.xtd"};
\$trajectory->Close;
or
my \$trajectory = \$Documents{"name.xtd"};
\$trajectory->Discard;
or
my \$trajectory = \$Documents{"name.xtd"};
\$trajectory->Delete;
after the delete-command the file is still listed in the project explorer. re-running the delete-command leads to the following error: "The document does not contain a trajectory (function/property "Item") at -e line 13."
but the file is still listed in the project explorer with the result that i'm unable to launch a dynamics simulation using perl script: "Dynamics calculation - The trajectory file '\input.xtd' already exists."
any ideas?
thank you!